Grundinformationen
- Standard-SMILES
CC1CCC(N)CC1- InChIKey
KSMVBYPXNKCPAJ-UHFFFAOYSA-N- Summenformel
- C7H15N
- Durchschnittliche Molmasse
- 113,2 g/mol
- Monoisotopische Masse
- 113,12044948
Überblick
P-aminocyclohexylmethane appears as a colorless viscous oily liquid with almost no odor. Contact with the skin, eyes and mucous membranes causes severe chemical burns. Toxic by skin absorption. Toxic ammonia and nitrogen oxides may be released upon exposure to fire.
Namen und Bezeichner
- Bevorzugter Name
- 4-Methylcyclohexylamine
- IUPAC
- 4-methylcyclohexan-1-amine
- Englischer Name
- trans-4-Methylcyclohexyl amine
- Summenformel
- C7H15N
- Molmasse
- 113.2
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
2523-55-9、2523-56-0、6321-23-9- PubChem CID
- 80604
- DTXSID
DTXSID2064232- ChEMBL
CHEMBL3780789、CHEMBL510738- ChEBI
CHEBI:183280- UNII
- 6HY7JNM5XM、HZE5FWV7EQ
- EC Number
- 228-673-8、835-419-5
- Nikkaji
- J149.994G、J263.661A、J263.667K
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,5
- Polarare Oberfläche (TPSA)
- 26 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 8
- Formalladung
- 0
- Komplexität
- 62,8
Experimentelle und physikochemische Eigenschaften
Physical Description
P-aminocyclohexylmethane appears as a colorless viscous oily liquid with almost no odor. Contact with the skin, eyes and mucous membranes causes severe chemical burns. Toxic by skin absorption. Toxic ammonia and nitrogen oxides may be released upon exposure to fire.
Physikochemische Eigenschaften
- Schmelzpunkt
- -8.5 °C · -8.5°C (estimate)
- Siedepunkt
- 151 · 151-154°C
- Dichte
- 0.85 · 0.85
- Brechungsindex
- 1.45 to · 1.4500 to 1.4530
- Flammpunkt
- 26 °C · 26°C
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- Löslichkeit
- DMSO (Slightly), Methanol (Slightly)
- Aggregatzustand
- clear liquid
- pka
- 10.58 · 10.58±0.70(Predicted)
- Farbe
- Colorless to Light yellow
- InChI
- InChI=1S/C7H15N/c1-6-2-4-7(8)5-3-6/h6-7H,2-5,8H2,1H3/t6-,7-
- InChIKey
- KSMVBYPXNKCPAJ-LJGSYFOKSA-N
- SMILES
- [C@@H]1(N)CC[C@@H](C)CC1
- CAS Datenbank
- 2523 · 2523-55-9(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
Gefahrenhinweise
Reactivity Profile
P-AMINOCYCLOHEXYLMETHANE is incompatible with acids and oxidizing agents. Neutralizes acids exothermically to form salts plus water. May be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Generates flammable gaseous hydrogen in combination with strong reducing agents, such as hydrides.
Hazard Classes and Categories
Flam. Liq. 3 (100%)
Flam. Liq. 3 (100%)
Sicherheit und Schutzausrüstung
Sicherheitsdaten
- ridadr
- 2733
- hs_code
- 2921309990
- risk_code
- 10-35-52-36-22
- hazard_code
- C,Xn
- safety_code
- 16-28-26
- hazard_class
- 8/3
- packing_group
- II
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